EINECS 289-079-2
TL;DR: EINECS 289-079-2 (CAS 85977-48-6) is a chemical compound with molecular formula C31H26ClN5O6S2 and molecular weight 663.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-chlorophenyl)diazenyl]-5-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]diazenyl]naphthalene-2-sulfonic acid
Also Known As: EINECS 289-079-2, 8-((4-Chlorophenyl)azo)-5-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)azo)naphthalene-2-sulphonic acid, 8-[(4-CHLOROPHENYL)AZO]-5-[[4-[ETHYL[(3-SULFOPHENYL)METHYL]AMINO]PHENYL]AZO]NAPHTHALENE-2-SULFONIC ACID, 8-[(4-chlorophenyl)diazenyl]-5-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]diazenyl]naphthalene-2-sulfonic acid, 8-[(4-Chlorophenyl)azo]-5-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]azo]-2-naphthalenesulfonic acid
| Molecular Formula | C31H26ClN5O6S2 |
|---|---|
| Molecular Weight | 663.10 g/mol |
| LogP | 8.8439 |
| Topological Polar Surface Area | 161.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 663.1013 |
| Heavy Atoms | 45 |
| Complexity | 2138.713 |
Chemical Identifiers
| CAS Number | 85977-48-6 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC=C(C=C5)Cl)S(=O)(=O)O |
Product Overview
EINECS 289-079-2 (CAS 85977-48-6), with molecular formula C31H26ClN5O6S2 and molecular weight 663.10 g/mol. IUPAC: 8-[(4-chlorophenyl)diazenyl]-5-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]diazenyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of EINECS 289-079-2
Property Insights of EINECS 289-079-2
The XLogP value of 8.8439 indicates that EINECS 289-079-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.42 Ų indicates high polarity, suggesting EINECS 289-079-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 289-079-2 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 289-079-2?
The CAS number of EINECS 289-079-2 is 85977-48-6.
What is the molecular formula of EINECS 289-079-2?
The molecular formula of EINECS 289-079-2 is C31H26ClN5O6S2.
What is the molecular weight of EINECS 289-079-2?
The molecular weight of EINECS 289-079-2 is 663.10 g/mol.
Where can I buy EINECS 289-079-2?
You can request a quote for EINECS 289-079-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 289-079-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 289-079-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.